guanfacine
| SMILES | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N |
| InChIKey | INJOMKTZOLKMBF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 1 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 245.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.41 | 5.68 | 5.95 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.03 | 7.17 | 7.3 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.6 | 6.95 | 7.3 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.86 | 5.93 | 5.99 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.8 | 6.15 | 6.5 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.4 | 5.8 | 6.2 | Guide to Pharmacology |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 7.69 | 7.69 | 7.69 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.87 | 6.87 | 6.87 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.14 | 8.14 | 8.14 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.6000000000000005 | 7.6 | 7.6 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 8.23 | 8.23 | 8.23 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 8.05 | 8.05 | 8.05 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.25 | 8.25 | 8.25 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.23 | 8.23 | 8.23 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 7.9 | 7.9 | 7.9 | ChEMBL |